Y020-2248 Screening compound: 11-(2,5-dimethoxyphenyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y020-2248 Screening compound: 11-(2,5-dimethoxyphenyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y020-2248 Screening compound: 11-(2,5-dimethoxyphenyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2248
11-(2,5-dimethoxyphenyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y020-2248

Molecular Formula

C26H30N2O4 (C26 H30 N2 O4)

Compound Name

11-(2,5-dimethoxyphenyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(25-dimethoxyphenyl)-1414-dimethyl-9-propanoyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCC(N(C1c(cc(cc2)OC)c2OC)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C26H30N2O4/c1-6-23(30)28-20-10-8-7-9-18(20)27-19-14-26(2,3)15-21(29)24(19)25(28)17-13-16(31-4)11-12-22(17)32-5/h7-13,25,27H,6,14-15H2,1-5H3/t25-/m0/s1

InChI Key

PAFKFZIOUCPJCQ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01648176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.757

Distribution Coefficient, logD

4.527

Water Solubility, LogSw

-4.53

Polar Surface Area

54.083

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

Y020-2248 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-2248 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-2248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2248
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y020-2248 available by request